1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine

C18H16FNS — CID 63808898

IUPAC1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1ccc2ccccc2c1
InChIInChI=1S/C18H16FNS/c1-20-12-15-10-16(19)7-9-18(15)21-17-8-6-13-4-2-3-5-14(13)11-17/h2-11,20H,12H2,1H3
InChIKeyCMUWLTNFAVKAAI-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.85
Rot. Bonds4

About 1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine

1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine (PubChem CID 63808898) has the molecular formula C18H16FNS and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine
PubChem CID63808898
Molecular FormulaC18H16FNS
Molecular Weight297.40 g/mol
Exact Mass297.10
IUPAC Name1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1ccc2ccccc2c1
InChIInChI=1S/C18H16FNS/c1-20-12-15-10-16(19)7-9-18(15)21-17-8-6-13-4-2-3-5-14(13)11-17/h2-11,20H,12H2,1H3
InChIKeyCMUWLTNFAVKAAI-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine (CID 63808898) is 1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine is CNCc1cc(F)ccc1Sc1ccc2ccccc2c1.
What is the InChIKey of 1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine?
The InChIKey is CMUWLTNFAVKAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNS/c1-20-12-15-10-16(19)7-9-18(15)21-17-8-6-13-4-2-3-5-14(13)11-17/h2-11,20H,12H2,1H3.
What are the key properties of 1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine?
1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine has a molecular weight of 297.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine is sourced from PubChem (CID 63808898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).